(3R)-3-hydroxy-3,7-dimethyloct-6-enal

C10H18O2 — CID 11805184

IUPAC(3R)-3-hydroxy-3,7-dimethyloct-6-enal
SMILESCC(C)=CCC[C@@](C)(O)CC=O
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12)7-8-11/h5,8,12H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyDUSOFANQAJQCRP-SNVBAGLBSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds5

About (3R)-3-hydroxy-3,7-dimethyloct-6-enal

(3R)-3-hydroxy-3,7-dimethyloct-6-enal (PubChem CID 11805184) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-3-hydroxy-3,7-dimethyloct-6-enal.

Molecular Properties

Compound Name(3R)-3-hydroxy-3,7-dimethyloct-6-enal
PubChem CID11805184
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-3-hydroxy-3,7-dimethyloct-6-enal
SMILESCC(C)=CCC[C@@](C)(O)CC=O
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12)7-8-11/h5,8,12H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyDUSOFANQAJQCRP-SNVBAGLBSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3,7-dimethyloct-6-enal?
The IUPAC name of (3R)-3-hydroxy-3,7-dimethyloct-6-enal (CID 11805184) is (3R)-3-hydroxy-3,7-dimethyloct-6-enal.
What is the SMILES notation for (3R)-3-hydroxy-3,7-dimethyloct-6-enal?
The canonical SMILES for (3R)-3-hydroxy-3,7-dimethyloct-6-enal is CC(C)=CCC[C@@](C)(O)CC=O.
What is the InChIKey of (3R)-3-hydroxy-3,7-dimethyloct-6-enal?
The InChIKey is DUSOFANQAJQCRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12)7-8-11/h5,8,12H,4,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3,7-dimethyloct-6-enal?
(3R)-3-hydroxy-3,7-dimethyloct-6-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3,7-dimethyloct-6-enal is sourced from PubChem (CID 11805184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).